bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane

C24H27BrNP — CID 13019452

IUPACbromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane
SMILESBrP(CCN1CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27BrNP/c25-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23,24-16-8-3-9-17-24)21-20-26-18-10-11-19-26/h1-9,12-17H,10-11,18-21H2
InChIKeyZOBRGWUFDIPGEJ-UHFFFAOYSA-N
MW440.37 g/mol
LogP4.92
Rot. Bonds6

About bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane

bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane (PubChem CID 13019452) has the molecular formula C24H27BrNP and a molecular weight of 440.37 g/mol. Its IUPAC name is bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane.

Molecular Properties

Compound Namebromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane
PubChem CID13019452
Molecular FormulaC24H27BrNP
Molecular Weight440.37 g/mol
Exact Mass439.11
IUPAC Namebromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane
SMILESBrP(CCN1CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27BrNP/c25-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23,24-16-8-3-9-17-24)21-20-26-18-10-11-19-26/h1-9,12-17H,10-11,18-21H2
InChIKeyZOBRGWUFDIPGEJ-UHFFFAOYSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane?
The IUPAC name of bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane (CID 13019452) is bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane.
What is the SMILES notation for bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane?
The canonical SMILES for bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane is BrP(CCN1CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane?
The InChIKey is ZOBRGWUFDIPGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrNP/c25-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23,24-16-8-3-9-17-24)21-20-26-18-10-11-19-26/h1-9,12-17H,10-11,18-21H2.
What are the key properties of bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane?
bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane has a molecular weight of 440.37 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-triphenyl-(2-pyrrolidin-1-ylethyl)-lambda5-phosphane is sourced from PubChem (CID 13019452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).